[1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate

C25H28N4O4 — CID 68971607

IUPAC[1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate
SMILESCCOCc1nc2cnc3ccc(OCc4ccccc4)cc3c2n1CC(C)(C)OC(N)=O
InChIInChI=1S/C25H28N4O4/c1-4-31-15-22-28-21-13-27-20-11-10-18(32-14-17-8-6-5-7-9-17)12-19(20)23(21)29(22)16-25(2,3)33-24(26)30/h5-13H,4,14-16H2,1-3H3,(H2,26,30)
InChIKeyXWEFHNOVTIWMNL-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.57
Rot. Bonds9

About [1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate

[1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate (PubChem CID 68971607) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is [1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate
PubChem CID68971607
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name[1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate
SMILESCCOCc1nc2cnc3ccc(OCc4ccccc4)cc3c2n1CC(C)(C)OC(N)=O
InChIInChI=1S/C25H28N4O4/c1-4-31-15-22-28-21-13-27-20-11-10-18(32-14-17-8-6-5-7-9-17)12-19(20)23(21)29(22)16-25(2,3)33-24(26)30/h5-13H,4,14-16H2,1-3H3,(H2,26,30)
InChIKeyXWEFHNOVTIWMNL-UHFFFAOYSA-N
XLogP4.57
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine
CID 141108816
1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 67051136
2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate
CID 175245681
N-[1-[2-(ethoxymethyl)-5-oxido-8-phenylmethoxyimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-yl]cyclohexanecarboxamide
CID 67051010
ethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine
CID 143012779
ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate
CID 57447047
[1-[(3-tert-butyl-6-phenylmethoxyquinolin-4-yl)-nitroamino]-2-methylpropan-2-yl] carbamate
CID 150964990
2-methyl-1-(2-methyl-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)propan-2-ol
CID 123382300
2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline
CID 67051125
2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide
CID 67051091
tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane
CID 66649907
O-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl] ethanethioate
CID 91445036

Frequently Asked Questions

What is the IUPAC name of [1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate (CID 68971607) is [1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate is CCOCc1nc2cnc3ccc(OCc4ccccc4)cc3c2n1CC(C)(C)OC(N)=O.
What is the InChIKey of [1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate?
The InChIKey is XWEFHNOVTIWMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-4-31-15-22-28-21-13-27-20-11-10-18(32-14-17-8-6-5-7-9-17)12-19(20)23(21)29(22)16-25(2,3)33-24(26)30/h5-13H,4,14-16H2,1-3H3,(H2,26,30).
What are the key properties of [1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate?
[1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate has a molecular weight of 448.52 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 68971607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).